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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1026-517 out of 517
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Au_rate
E
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Age
✕
Volume
✕
Username
✕
1026
Au
8
Si
4
47M
1426.239
yangxb
1027
Au
8
Si
4
47M
1426.627
yangxb
1028
Au
8
Si
4
47M
1444.059
yangxb
1029
Au
8
Si
4
47M
1422.517
yangxb
1030
Au
8
Si
4
47M
1443.812
yangxb
1031
Au
8
Si
4
47M
1426.982
yangxb
1032
Au
8
Si
4
47M
1426.553
yangxb
1033
Au
8
Si
4
47M
1443.253
yangxb
1034
Au
8
Si
4
47M
1427.562
yangxb
1035
Au
8
Si
4
47M
1443.603
yangxb
1036
Au
8
Si
4
47M
1427.512
yangxb
1037
Au
8
Si
4
47M
1443.222
yangxb
1038
Au
8
Si
4
47M
1427.571
yangxb
1039
Au
8
Si
4
47M
1426.943
yangxb
1040
Au
8
Si
4
47M
1443.623
yangxb
1041
Au
8
Si
4
47M
1426.753
yangxb
1042
Au
8
Si
4
47M
1449.894
yangxb
1043
Au
8
Si
4
47M
1427.189
yangxb
1044
Au
8
Si
4
47M
1425.849
yangxb
1045
Au
8
Si
4
47M
1426.527
yangxb
1046
Au
8
Si
4
47M
1424.034
yangxb
1047
Au
8
Si
4
47M
1427.042
yangxb
1048
Au
8
Si
4
47M
1421.304
yangxb
1049
Au
8
Si
4
47M
1426.958
yangxb
1050
Au
8
Si
4
47M
1443.661
yangxb
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